fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol

C22H28F4N4O3 — CID 155727780

About fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol

fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol (PubChem CID 155727780) has the molecular formula C22H28F4N4O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol.

Molecular Properties

• Compound Name: fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol
• PubChem CID: 155727780
• Molecular Formula: C22H28F4N4O3
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.21
• IUPAC Name: fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol
• SMILES: C.CF.COc1cnn2c(-c3cc4c(c(OC)c3)C(C)(O)N(CC(F)(F)F)CC4)cnc2c1
• InChI: InChI=1S/C20H21F3N4O3.CH3F.CH4/c1-19(28)18-12(4-5-26(19)11-20(21,22)23)6-13(7-16(18)30-3)15-10-24-17-8-14(29-2)9-25-27(15)17;1-2;/h6-10,28H,4-5,11H2,1-3H3;1H3;1H4
• InChIKey: PKTHHJSWSRBNAW-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol?

The IUPAC name of fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol (CID 155727780) is fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol.

What is the SMILES notation for fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol?

The canonical SMILES for fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol is C.CF.COc1cnn2c(-c3cc4c(c(OC)c3)C(C)(O)N(CC(F)(F)F)CC4)cnc2c1.

What is the InChIKey of fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol?

The InChIKey is PKTHHJSWSRBNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3.CH3F.CH4/c1-19(28)18-12(4-5-26(19)11-20(21,22)23)6-13(7-16(18)30-3)15-10-24-17-8-14(29-2)9-25-27(15)17;1-2;/h6-10,28H,4-5,11H2,1-3H3;1H3;1H4.

What are the key properties of fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol?

fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol has a molecular weight of 472.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for fluoromethane;methane;8-methoxy-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-ol is sourced from PubChem (CID 155727780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).